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canSAR847581
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NAMES
    SMILES
    FC(F)(F)c1ccc(SCC(c2ccccn2)c2c[nH]cn2)cc1
    InChI
    InChI=1S/C17H14F3N3S/c18-17(19,20)12-4-6-13(7-5-12)24-10-14(16-9-21-11-23-16)15-3-1-2-8-22-15/h1-9,11,14H,10H2,(H,21,23)
    MOLECULAR FORMULA
    C17H14F3N3S
    CROSS REFERENCES
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    canSAR847581

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.09
    AlogP 4.75
    HBond donors 1
    HBond acceptors 3
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR847581.